1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride

C12H24ClN5 — CID 3030574

IUPAC1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride
SMILESCC(C)CCn1nnnc1CN1CCCCC1.Cl
InChIInChI=1S/C12H23N5.ClH/c1-11(2)6-9-17-12(13-14-15-17)10-16-7-4-3-5-8-16;/h11H,3-10H2,1-2H3;1H
InChIKeyDAJCCDWAOYEDMI-UHFFFAOYSA-N
MW273.81 g/mol
LogP2.13
Rot. Bonds5

About 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride

1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride (PubChem CID 3030574) has the molecular formula C12H24ClN5 and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride.

Molecular Properties

Compound Name1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride
PubChem CID3030574
Molecular FormulaC12H24ClN5
Molecular Weight273.81 g/mol
Exact Mass273.17
IUPAC Name1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride
SMILESCC(C)CCn1nnnc1CN1CCCCC1.Cl
InChIInChI=1S/C12H23N5.ClH/c1-11(2)6-9-17-12(13-14-15-17)10-16-7-4-3-5-8-16;/h11H,3-10H2,1-2H3;1H
InChIKeyDAJCCDWAOYEDMI-UHFFFAOYSA-N
XLogP2.13
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride?
The IUPAC name of 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride (CID 3030574) is 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride.
What is the SMILES notation for 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride?
The canonical SMILES for 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride is CC(C)CCn1nnnc1CN1CCCCC1.Cl.
What is the InChIKey of 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride?
The InChIKey is DAJCCDWAOYEDMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5.ClH/c1-11(2)6-9-17-12(13-14-15-17)10-16-7-4-3-5-8-16;/h11H,3-10H2,1-2H3;1H.
What are the key properties of 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride?
1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride has a molecular weight of 273.81 g/mol, XLogP of 2.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(3-methylbutyl)tetrazol-5-yl]methyl]piperidine;hydrochloride is sourced from PubChem (CID 3030574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).